N-[3-(4-chloranyl-3-methyl-phenoxy)propyl]pyridin-1-ium-2-amine

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)propyl]pyridin-1-ium-2-amine Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)propyl]pyridin-1-ium-2-amine CAS Name: N-[3-(4-chloro-3-methylphenoxy)propyl]-2-pyridin-1-iumamine IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)propyl]pyridin-1-ium-2-amine Traditional Name: 3-(4-chloro-3-methyl-phenoxy)propyl-pyridin-1-ium-2-yl-amine Formula: C15H18ClN2O+ MolecularWeight: 277.76922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCNC2=CC=CC=[NH+]2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCNC2=CC=CC=[NH+]2)Cl

InChI

InChI=1S/C15H17ClN2O/c1-12-11-13(6-7-14(12)16)19-10-4-9-18-15-5-2-3-8-17-15/h2-3,5-8,11H,4,9-10H2,1H3,(H,17,18)/p+1